REMARK  Name = BDB061771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.857   0.057  -1.980  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.056  -0.402  -3.277  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.348   0.090  -4.303  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.975  -1.418  -3.524  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.707  -1.967  -2.468  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.539  -1.495  -1.154  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.595  -0.482  -0.918  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        3.582  -1.974   0.017  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        3.195  -0.578  -0.478  0.00  0.00    +0.071 C 
ATOM     10  N   LIG    1        3.877   0.441   0.365  0.00  0.00    -0.296 NA
ATOM     11  C   LIG    1        3.042   1.649   0.557  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1        2.113   1.983  -0.621  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        1.217   0.877  -0.947  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        0.104   1.142  -1.734  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1       -0.144   2.248  -2.207  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        1.649  -0.453  -0.498  0.00  0.00    +0.126 C 
BRANCH  10  17
ATOM     17  C   LIG    1        5.204   0.769  -0.178  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.093   1.281   0.921  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        7.567   0.955   0.920  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.663   0.334   1.948  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  C   LIG    1       -3.325  -2.127  -0.020  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.806  -1.177   0.983  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -4.943  -0.348   0.732  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -5.379   0.543   1.720  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -6.489   1.376   1.519  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.182   1.326   0.314  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.765   0.448  -0.682  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.653   0.607   2.997  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -4.990   1.364   3.900  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -3.580  -0.231   3.118  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -3.067  -0.186   3.986  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -5.656  -0.383  -0.475  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -3.111  -1.106   2.182  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -2.107  -1.772   2.432  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5